4-[[(4-ethylphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-ethylphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-ethylphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-ethylphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-ethylphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-ethylbenzyl)ammonio]methyl]benzoate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H19NO2/c1-2-13-3-5-14(6-4-13)11-18-12-15-7-9-16(10-8-15)17(19)20/h3-10,18H,2,11-12H2,1H3,(H,19,20)